1-(3,5-diacetyl-1,3,5-triazinan-1-yl)propan-1-one

C10H17N3O3 — CID 21133438

IUPAC1-(3,5-diacetyl-1,3,5-triazinan-1-yl)propan-1-one
SMILESCCC(=O)N1CN(C(C)=O)CN(C(C)=O)C1
InChIInChI=1S/C10H17N3O3/c1-4-10(16)13-6-11(8(2)14)5-12(7-13)9(3)15/h4-7H2,1-3H3
InChIKeyIDNRVCBGHDQSOI-UHFFFAOYSA-N
MW227.26 g/mol
LogP-0.19
Rot. Bonds1

About 1-(3,5-diacetyl-1,3,5-triazinan-1-yl)propan-1-one

1-(3,5-diacetyl-1,3,5-triazinan-1-yl)propan-1-one (PubChem CID 21133438) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 1-(3,5-diacetyl-1,3,5-triazinan-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(3,5-diacetyl-1,3,5-triazinan-1-yl)propan-1-one
PubChem CID21133438
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name1-(3,5-diacetyl-1,3,5-triazinan-1-yl)propan-1-one
SMILESCCC(=O)N1CN(C(C)=O)CN(C(C)=O)C1
InChIInChI=1S/C10H17N3O3/c1-4-10(16)13-6-11(8(2)14)5-12(7-13)9(3)15/h4-7H2,1-3H3
InChIKeyIDNRVCBGHDQSOI-UHFFFAOYSA-N
XLogP-0.19
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-0.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-diacetyl-1,3,5-triazinan-1-yl)propan-1-one?
The IUPAC name of 1-(3,5-diacetyl-1,3,5-triazinan-1-yl)propan-1-one (CID 21133438) is 1-(3,5-diacetyl-1,3,5-triazinan-1-yl)propan-1-one.
What is the SMILES notation for 1-(3,5-diacetyl-1,3,5-triazinan-1-yl)propan-1-one?
The canonical SMILES for 1-(3,5-diacetyl-1,3,5-triazinan-1-yl)propan-1-one is CCC(=O)N1CN(C(C)=O)CN(C(C)=O)C1.
What is the InChIKey of 1-(3,5-diacetyl-1,3,5-triazinan-1-yl)propan-1-one?
The InChIKey is IDNRVCBGHDQSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-4-10(16)13-6-11(8(2)14)5-12(7-13)9(3)15/h4-7H2,1-3H3.
What are the key properties of 1-(3,5-diacetyl-1,3,5-triazinan-1-yl)propan-1-one?
1-(3,5-diacetyl-1,3,5-triazinan-1-yl)propan-1-one has a molecular weight of 227.26 g/mol, XLogP of -0.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-diacetyl-1,3,5-triazinan-1-yl)propan-1-one is sourced from PubChem (CID 21133438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).